N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

C14H20N4OS — CID 64619656

IUPACN-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
SMILESCCCOc1ccc(C(CSc2ncn[nH]2)NC)cc1
InChIInChI=1S/C14H20N4OS/c1-3-8-19-12-6-4-11(5-7-12)13(15-2)9-20-14-16-10-17-18-14/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyUEKXDOUGCYMIPE-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.65
Rot. Bonds8

About N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine

N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine (PubChem CID 64619656) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
PubChem CID64619656
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
SMILESCCCOc1ccc(C(CSc2ncn[nH]2)NC)cc1
InChIInChI=1S/C14H20N4OS/c1-3-8-19-12-6-4-11(5-7-12)13(15-2)9-20-14-16-10-17-18-14/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyUEKXDOUGCYMIPE-UHFFFAOYSA-N
XLogP2.65
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64620813
N-[1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 64619474
N-ethyl-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64622182
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64621017
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
N-[(4-propoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360258
N-methyl-1-(2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64619649
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-methoxy-N-propyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-amine
CID 107511261

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine (CID 64619656) is N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine is CCCOc1ccc(C(CSc2ncn[nH]2)NC)cc1.
What is the InChIKey of N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
The InChIKey is UEKXDOUGCYMIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-8-19-12-6-4-11(5-7-12)13(15-2)9-20-14-16-10-17-18-14/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine?
N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine has a molecular weight of 292.41 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 64619656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).